3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol

C10H15N3OS2 — CID 66128131

IUPAC3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
SMILESCNCc1c(SCCCO)nc2sccn12
InChIInChI=1S/C10H15N3OS2/c1-11-7-8-9(15-5-2-4-14)12-10-13(8)3-6-16-10/h3,6,11,14H,2,4-5,7H2,1H3
InChIKeyAFCNMNLABOWIAY-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.59
Rot. Bonds6

About 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol

3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol (PubChem CID 66128131) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
PubChem CID66128131
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
SMILESCNCc1c(SCCCO)nc2sccn12
InChIInChI=1S/C10H15N3OS2/c1-11-7-8-9(15-5-2-4-14)12-10-13(8)3-6-16-10/h3,6,11,14H,2,4-5,7H2,1H3
InChIKeyAFCNMNLABOWIAY-UHFFFAOYSA-N
XLogP1.59
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808708
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
1-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808078
3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 111104956
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 115383874
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 63818995
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol (CID 66128131) is 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol is CNCc1c(SCCCO)nc2sccn12.
What is the InChIKey of 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol?
The InChIKey is AFCNMNLABOWIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-11-7-8-9(15-5-2-4-14)12-10-13(8)3-6-16-10/h3,6,11,14H,2,4-5,7H2,1H3.
What are the key properties of 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol?
3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 66128131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).